2-[[3-cyano-6-fluoranyl-2-[4-(3-propan-2-ylphenyl)phenyl]quinolin-4-yl]amino]propanoic acid

Systemtic Name: 2-[[3-cyano-6-fluoranyl-2-[4-(3-propan-2-ylphenyl)phenyl]quinolin-4-yl]amino]propanoic acid Openeye Name: 2-[[3-cyano-6-fluoro-2-[4-(3-isopropylphenyl)phenyl]-4-quinolyl]amino]propanoic acid CAS Name: 2-[[3-cyano-6-fluoro-2-[4-(3-propan-2-ylphenyl)phenyl]-4-quinolinyl]amino]propanoic acid IUPAC Name: 2-[[3-cyano-6-fluoro-2-[4-(3-propan-2-ylphenyl)phenyl]quinolin-4-yl]amino]propanoic acid Traditional Name: 2-[[3-cyano-6-fluoro-2-(4-m-cumenylphenyl)-4-quinolyl]amino]propionic acid Formula: C28H24FN3O2 MolecularWeight: 453.507463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1)C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)F)C(=C3C#N)NC(C)C(=O)O

Isomeric SMILES

CC(C)C1=CC=CC(=C1)C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)F)C(=C3C#N)NC(C)C(=O)O

InChI

InChI=1S/C28H24FN3O2/c1-16(2)20-5-4-6-21(13-20)18-7-9-19(10-8-18)26-24(15-30)27(31-17(3)28(33)34)23-14-22(29)11-12-25(23)32-26/h4-14,16-17H,1-3H3,(H,31,32)(H,33,34)